香紫苏醇

Description

Sclareol · CAS 515-03-7 · C20H36O2. UNII B607NP0Q8Y.

Identification

CAS Registry Number	515-03-7
PubChem CID	163263
Molecular formula	C20H36O2
IUPAC name	(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
UNII (FDA)	B607NP0Q8Y
FEMA number	4502
JECFA number	2029

Computed Descriptors

Molecular Weight	308.5
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	308.271530387
Monoisotopic Mass	308.271530387
Topological Polar Surface Area	40.5
Heavy Atom Count	22
Formal Charge	0

Physical description & handling notes

• Large Crystals
• Solid; Bitter herbaceous hay-like aroma
• Practically insoluble or insoluble in water
• Soluble (in ethanol)
• 189.2 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0047111]
• 178.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0047111]

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral (−)-SCLAREOL
GHS notification summary	99.2% (131 / 132)

GHS Hazard Classification

GHS notification summary	99.2% (131 / 132)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Cosmetics product ingredient: 1-Naphthalenepropanol, a-ethenyldecahydro- 2-hydroxy-a,2,5,5,8a-pentamethyl-, [1R-[1a(R),2ß,4aß,8aa]]- (Sclareol; [1R-(1alpha)]-alpha-Ethenyldecahydro-2-hydroxy-a,2,5,5,8a-pentamethyl-1-naphthalenepropanol)
• Reason for Listing: Listed as Persistent, Bioaccumulative, and Inherently Toxic to the environment by the Canadian Environmental Protection Act Environmental Registry Domestic Substances List.
• Potential Health Impacts: Bioaccumulation, Environmental Persistence, and Undefined Toxicity
• For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:

Synonyms

Sclareol; 515-03-7; labd-14-ene-8,13-diol; DTXSID0047111; (13R)-Labd-14-ene-8,13-diol; (-)-SCLAREOL; B607NP0Q8Y; Labd-14-ene-8,13-diol, (13R)-; CHEBI:9053; DTXCID8027111; FEMA NO. 4502; 1-Naphthalenepropanol, alpha-ethenyldecahydro-2-hydroxy-alpha,2,5,5,8a-pentamethyl-, (alphaR,1R,2R,4aS,8aS)-; labd-14-ene-8alpha, 13beta-diol; RefChem:49009; 208-194-0; (1R,2R,4aS,8aS)-1-((R)-3-hydroxy-3-methylpent-4-en-1-yl)-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol

Frequently Asked Questions

What are the CAS number and molecular formula of Sclareol?

CAS 515-03-7; molecular formula C20H36O2; molecular weight — g/mol.

What other names is Sclareol known by?

Sclareol, 515-03-7, labd-14-ene-8,13-diol, DTXSID0047111, (13R)-Labd-14-ene-8,13-diol, (-)-SCLAREOL.

What is the regulatory status of Sclareol?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Sclareol classified as hazardous?

99.2% of GHS notifications report no hazard classification (131 of 132).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.